4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C21H22F2N4O2 — CID 90773092

IUPAC4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(F)c2C1/C=N/c1ccc(NCCN2CCOCC2)c(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-16-2-1-3-19-20(16)15(21(28)26-19)13-25-14-4-5-18(17(23)12-14)24-6-7-27-8-10-29-11-9-27/h1-5,12-13,15,24H,6-11H2,(H,26,28)/b25-13+
InChIKeyNEEITWVBTOCMIZ-DHRITJCHSA-N
MW400.43 g/mol
LogP3.15
Rot. Bonds6

About 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90773092) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90773092
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(F)c2C1/C=N/c1ccc(NCCN2CCOCC2)c(F)c1
InChIInChI=1S/C21H22F2N4O2/c22-16-2-1-3-19-20(16)15(21(28)26-19)13-25-14-4-5-18(17(23)12-14)24-6-7-27-8-10-29-11-9-27/h1-5,12-13,15,24H,6-11H2,(H,26,28)/b25-13+
InChIKeyNEEITWVBTOCMIZ-DHRITJCHSA-N
XLogP3.15
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90773092) is 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2cccc(F)c2C1/C=N/c1ccc(NCCN2CCOCC2)c(F)c1.
What is the InChIKey of 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is NEEITWVBTOCMIZ-DHRITJCHSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-16-2-1-3-19-20(16)15(21(28)26-19)13-25-14-4-5-18(17(23)12-14)24-6-7-27-8-10-29-11-9-27/h1-5,12-13,15,24H,6-11H2,(H,26,28)/b25-13+.
What are the key properties of 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 400.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90773092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).